(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2R)-oxan-2-yl]oxypropanal

C15H30O4Si — CID 56974857

IUPAC(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2R)-oxan-2-yl]oxypropanal
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](C=O)CO[C@@H]1CCCCO1
InChIInChI=1S/C15H30O4Si/c1-15(2,3)20(4,5)19-12-13(10-16)11-18-14-8-6-7-9-17-14/h10,13-14H,6-9,11-12H2,1-5H3/t13-,14+/m0/s1
InChIKeyCJHKEENZQQLKRD-UONOGXRCSA-N
MW302.49 g/mol
LogP3.37
Rot. Bonds7

About (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2R)-oxan-2-yl]oxypropanal

(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2R)-oxan-2-yl]oxypropanal (PubChem CID 56974857) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2R)-oxan-2-yl]oxypropanal.

Molecular Properties

Compound Name(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2R)-oxan-2-yl]oxypropanal
PubChem CID56974857
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2R)-oxan-2-yl]oxypropanal
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](C=O)CO[C@@H]1CCCCO1
InChIInChI=1S/C15H30O4Si/c1-15(2,3)20(4,5)19-12-13(10-16)11-18-14-8-6-7-9-17-14/h10,13-14H,6-9,11-12H2,1-5H3/t13-,14+/m0/s1
InChIKeyCJHKEENZQQLKRD-UONOGXRCSA-N
XLogP3.37
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2R)-oxan-2-yl]oxypropanal?
The IUPAC name of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2R)-oxan-2-yl]oxypropanal (CID 56974857) is (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2R)-oxan-2-yl]oxypropanal.
What is the SMILES notation for (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2R)-oxan-2-yl]oxypropanal?
The canonical SMILES for (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2R)-oxan-2-yl]oxypropanal is CC(C)(C)[Si](C)(C)OC[C@@H](C=O)CO[C@@H]1CCCCO1.
What is the InChIKey of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2R)-oxan-2-yl]oxypropanal?
The InChIKey is CJHKEENZQQLKRD-UONOGXRCSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-15(2,3)20(4,5)19-12-13(10-16)11-18-14-8-6-7-9-17-14/h10,13-14H,6-9,11-12H2,1-5H3/t13-,14+/m0/s1.
What are the key properties of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2R)-oxan-2-yl]oxypropanal?
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2R)-oxan-2-yl]oxypropanal has a molecular weight of 302.49 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2R)-oxan-2-yl]oxypropanal is sourced from PubChem (CID 56974857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).